N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

C32H34N4O2 — CID 162657760

IUPACN,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CN(Cc1ccccn1)Cc1cc2c(C)cc(C)cc2nc1OC
InChIInChI=1S/C32H34N4O2/c1-20-11-22(3)27-15-24(31(37-5)34-29(27)13-20)17-36(19-26-9-7-8-10-33-26)18-25-16-28-23(4)12-21(2)14-30(28)35-32(25)38-6/h7-16H,17-19H2,1-6H3
InChIKeySIFHKPMMKVVQFJ-UHFFFAOYSA-N
MW506.65 g/mol
LogP6.63
Rot. Bonds8

About N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 162657760) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID162657760
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC NameN,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CN(Cc1ccccn1)Cc1cc2c(C)cc(C)cc2nc1OC
InChIInChI=1S/C32H34N4O2/c1-20-11-22(3)27-15-24(31(37-5)34-29(27)13-20)17-36(19-26-9-7-8-10-33-26)18-25-16-28-23(4)12-21(2)14-30(28)35-32(25)38-6/h7-16H,17-19H2,1-6H3
InChIKeySIFHKPMMKVVQFJ-UHFFFAOYSA-N
XLogP6.63
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 162657760) is N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is COc1nc2cc(C)cc(C)c2cc1CN(Cc1ccccn1)Cc1cc2c(C)cc(C)cc2nc1OC.
What is the InChIKey of N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is SIFHKPMMKVVQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-20-11-22(3)27-15-24(31(37-5)34-29(27)13-20)17-36(19-26-9-7-8-10-33-26)18-25-16-28-23(4)12-21(2)14-30(28)35-32(25)38-6/h7-16H,17-19H2,1-6H3.
What are the key properties of N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 506.65 g/mol, XLogP of 6.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162657760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).